1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium

C7H14O3 — CID 141216794

IUPAC1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium
SMILESCCC(C)(C)O/C(C)=[O+]/[O-]
InChIInChI=1S/C7H14O3/c1-5-7(3,4)9-6(2)10-8/h5H2,1-4H3
InChIKeyJZBZAUWFSBEVHX-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.55
Rot. Bonds2

About 1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium

1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium (PubChem CID 141216794) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium.

Molecular Properties

Compound Name1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium
PubChem CID141216794
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium
SMILESCCC(C)(C)O/C(C)=[O+]/[O-]
InChIInChI=1S/C7H14O3/c1-5-7(3,4)9-6(2)10-8/h5H2,1-4H3
InChIKeyJZBZAUWFSBEVHX-UHFFFAOYSA-N
XLogP0.55
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium?
The IUPAC name of 1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium (CID 141216794) is 1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium.
What is the SMILES notation for 1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium?
The canonical SMILES for 1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium is CCC(C)(C)O/C(C)=[O+]/[O-].
What is the InChIKey of 1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium?
The InChIKey is JZBZAUWFSBEVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-7(3,4)9-6(2)10-8/h5H2,1-4H3.
What are the key properties of 1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium?
1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium has a molecular weight of 146.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yloxy)ethylidene-oxidooxidanium is sourced from PubChem (CID 141216794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).